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CAS 305360-15-0 CHEMBRDG-BB 7084814 molecular structure lightbox
CAS RN: 305360-15-0

CHEMBRDG-BB 7084814

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251002 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS305360-15-0
  • Purity/Analytical Methods: >99.0%
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305360-15-0 / 5-amino-2-(2-methylpropyl)isoindole-1,3-dione

Standard CAS: 305360-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
305360-15-0
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
InChI
InChI=1S/C12H14N2O2/c1-7(2)6-14-11(15)9-4-3-8(13)5-10(9)12(14)16/h3-5,7H,6,13H2,1-2H3
InChIKey
NMJKQKWZDKOARK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.06
TPSA
63.4

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
2
Consensus LogP
1.62
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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